SCHEMBL10179221

SCHEMBL10179221

O=C(O)[C@@H]1CC2(CN1C(=O)O)CC(F)(F)C2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
CYP2C19 P33261 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31122379 1.00 GRM2 (0.33) GRM2GRM3CYP2C19
SCHEMBL10179303 0.84 PEPD (0.34) GRM2GRM3
SCHEMBL4254372 0.81 GRM2 (0.36) GRM2GRM3CYP2C19
SCHEMBL6919995 0.81 GRM2 (0.36) GRM2GRM3CYP2C19
SCHEMBL21806853 0.81 GRM2 (0.36) GRM2GRM3CYP2C19
SCHEMBL25364146 0.81 GRM2 (0.36) GRM2GRM3CYP2C19
SCHEMBL3512916 0.81 GRM2 (0.36) GRM2GRM3CYP2C19
SCHEMBL24021071 0.79 HSD17B10 (0.38) CYP2C19
SCHEMBL25365226 0.78 GRM2 (0.34) GRM2GRM3CYP2C19
SCHEMBL22636144 0.78 GRM2 (0.34) GRM2GRM3CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9814699-B2 Chemical compounds Janssen Pharmaceuticals, Inc. (US) 2017-11-14 US disclosed
US-20160158201-A1 CHEMICAL COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2016-06-09 US disclosed
EP-3006441-A1 NS5A INHIBITORS Janssen Pharmaceuticals, Inc. (US) 2016-04-13 EP disclosed
US-20150374668-A1 CHEMICAL COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2015-12-31 US disclosed
US-9150587-B2 Chemical compounds Janssen Pharmaceuticals, Inc. (US) 2015-10-06 US disclosed
US-20140371455-A1 Chemical compounds JANSSEN PHARMACEUTICALS INC (US) 2014-12-18 US disclosed
US-8853416-B2 Chemical compounds Janssen Pharmaceuticals, Inc. (US) 2014-10-07 US disclosed
US-20130274304-A1 Chemical Compounds Janssen Pharmaceuticals, Inc. 2013-10-17 US disclosed
US-8492554-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-07-23 US disclosed
US-20130072690-A1 Chemical Compounds GLAXOSMITHKLINE LLC (US) 2013-03-21 US disclosed
EP-2473056-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2012-07-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150374668-A1 CHEMICAL COMPOUNDS SLC10A1, UGT1A3, UGT2B7 GRM2 4204/4885GRM3 2144/4885CYP2C19 69/4885
US-20160158201-A1 CHEMICAL COMPOUNDS SLC10A1, UGT1A3, UGT2B7 GRM2 4204/4885GRM3 2144/4885CYP2C19 69/4885
US-20140371455-A1 Chemical compounds SLC10A1, UGT1A3, UGT2B7 GRM2 4204/4885GRM3 2144/4885CYP2C19 69/4885
US-20130072690-A1 Chemical Compounds SLC10A1, UGT1A3, UGT2B7 GRM2 4204/4885GRM3 2144/4885CYP2C19 69/4885
US-20130274304-A1 Chemical Compounds SLC10A1, UGT1A3, UGT2B7 GRM2 4204/4885GRM3 2144/4885CYP2C19 69/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.